SCHEMBL4548994

SCHEMBL4548994

COc1cc2nccc(Oc3ccc4c(C(=O)NCC(F)(F)F)cccc4c3)c2cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 20/20 1.00
AURKA O14965 12/20 1.00
LCK P06239 12/20 1.00
TEK Q02763 12/20 1.00
MET P08581 10/20 1.00
AURKB Q96GD4 9/20 1.00
LYN P07948 3/20 0.77
FLT1 P17948 1/20 0.77
ABL1 P00519 2/20 0.69
FGR P09769 1/20 0.69
CYP3A4 P08684 1/20 0.69
CYP2D6 P10635 1/20 0.69

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2749085 0.91 KDR (0.84) KDRAURKALCKTEKMET
SCHEMBL4548835 0.89 KDR (0.83) KDRAURKALCKTEKMET
SCHEMBL2747490 0.89 KDR (1.00) KDRAURKALCKTEKMET
SCHEMBL2746699 0.87 KDR (1.00) KDRAURKALCKTEKMET
SCHEMBL4548743 0.87 KDR (0.86) KDRAURKALCKTEKMET
SCHEMBL4548688 0.87 KDR (1.00) KDRAURKALCKTEKMET
SCHEMBL4820129 0.87 KDR (0.83) KDRAURKALCKTEKMET
SCHEMBL2747251 0.86 KDR (0.85) KDRAURKALCKTEKMET
SCHEMBL2747562 0.86 KDR (1.00) KDRAURKALCKTEKMET
SCHEMBL4548995 0.86 KDR (1.00) KDRAURKALCKTEKMET

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178557-B2 Compounds and methods of use AMGEN INC. (US) 2012-05-15 US disclosed
US-8178557-B2 Compounds and methods of use AMGEN INC. (US) 2012-05-15 US disclosed
US-20090176774-A1 Compounds and methods of use AMGEN INC. (US) 2009-07-09 US disclosed
US-20090176774-A1 Compounds and methods of use AMGEN INC. (US) 2009-07-09 US disclosed
US-7435823-B2 Compounds and methods of use AMGEN INC. (US) 2008-10-14 US disclosed
US-7435823-B2 Compounds and methods of use AMGEN INC. (US) 2008-10-14 US disclosed
US-7435823-B2 Compounds and methods of use AMGEN INC. (US) 2008-10-14 US disclosed
US-20060241115-A1 Compounds and methods of use AMGEN INC. 2006-10-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060241115-A1 Compounds and methods of use HGF, HGFAC, MET KDR 354/4885AURKA 4148/4885LCK 1106/4885
US-20090176774-A1 Compounds and methods of use HGF, HGFAC, MET KDR 354/4885AURKA 4148/4885LCK 1106/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.